(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane

C13H19N — CID 70131757

IUPAC(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@@]1(C1=CC=CC1)CC2
InChIInChI=1S/C13H19N/c1-14-12-7-4-9-13(14,10-8-12)11-5-2-3-6-11/h2-3,5,12H,4,6-10H2,1H3/t12-,13+/m1/s1
InChIKeyYBTSNIZPKYSNOZ-OLZOCXBDSA-N
MW189.30 g/mol
LogP2.89
Rot. Bonds1

About (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 70131757) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID70131757
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@@]1(C1=CC=CC1)CC2
InChIInChI=1S/C13H19N/c1-14-12-7-4-9-13(14,10-8-12)11-5-2-3-6-11/h2-3,5,12H,4,6-10H2,1H3/t12-,13+/m1/s1
InChIKeyYBTSNIZPKYSNOZ-OLZOCXBDSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane (CID 70131757) is (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC[C@@]1(C1=CC=CC1)CC2.
What is the InChIKey of (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is YBTSNIZPKYSNOZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19N/c1-14-12-7-4-9-13(14,10-8-12)11-5-2-3-6-11/h2-3,5,12H,4,6-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 70131757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).